SCHEMBL11260845

SCHEMBL11260845

CC/C(=C(/c1ccccc1)c1ccc(OCC(C)O)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.66
▸ CYP19A1 P11511 7/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ ESR2 Q92731 6/20 0.60
▸ MAPT P10636 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ NR1I2 O75469 1/20 0.60
▸ PRKD3 O94806 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ EGFR P00533 1/20 0.60
▸ GBA1 P04062 1/20 0.60
▸ NR3C1 P04150 1/20 0.60
▸ ERBB2 P04626 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ PRKCG P05129 1/20 0.60
▸ PRKCB P05771 1/20 0.60
▸ LCK P06239 1/20 0.60
▸ FYN P06241 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11268234 0.89 CYP19A1 (0.60) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL11258760 0.89 CYP19A1 (0.60) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL11258752 0.89 CYP19A1 (0.60) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL11260199 0.89 CYP19A1 (0.60) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL11260213 0.89 CYP19A1 (0.60) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL11259670 0.86 CYP19A1 (0.60) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL30534779 0.85 ESR1 (0.64) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL30534786 0.85 CYP19A1 (0.59) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL9415318 0.83 CYP2D6 (0.67) ESR1CYP19A1CYP3A4MAPTADRB2
SCHEMBL9415326 0.83 CYP2D6 (0.67) ESR1CYP19A1CYP3A4MAPTADRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019377-B1 1-HYDROCARBYLOXYPHENYL-1,2-DIPHENYLALKENE DERIVATIVES, THEIR MANUFACTURE AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-08-04 — — EP disclosed
US-4307111-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-22 — — US disclosed
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